EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67415 - (2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol

ChEBI IDCHEBI:67415
ChEBI Name(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
Stars
DefinitionA natural product found in Arcangelisia gusanlung.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H38O13
Net Charge0
Average Mass582.599
Monoisotopic Mass582.23124
SMILESCOc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19-,20-,23-,25+,26-,28-/m1/s1
InChIKeyPQQRNPDHSJDAGV-OWOXCGBSSA-N
Species of MetaboliteComponentSourceComments
Arcangelisia gusanlung (ncbitaxon:432629) stem (BTO:0001300) PubMed (21500777) MeOH extract of air-dried and smashed stems
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol (CHEBI:67415) has role metabolite (CHEBI:25212)
(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol (CHEBI:67415) is a lignan (CHEBI:25036)
Synonym  Source
[(1S,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranosideChEBI
Citations